1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea

C15H21FN2O2 — CID 56764365

IUPAC1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea
SMILESO=C(NCC(O)C1CCCCC1)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c16-12-8-4-5-9-13(12)18-15(20)17-10-14(19)11-6-2-1-3-7-11/h4-5,8-9,11,14,19H,1-3,6-7,10H2,(H2,17,18,20)
InChIKeyNHIHQPKZFVMUFN-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea

1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea (PubChem CID 56764365) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea
PubChem CID56764365
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea
SMILESO=C(NCC(O)C1CCCCC1)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c16-12-8-4-5-9-13(12)18-15(20)17-10-14(19)11-6-2-1-3-7-11/h4-5,8-9,11,14,19H,1-3,6-7,10H2,(H2,17,18,20)
InChIKeyNHIHQPKZFVMUFN-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea (CID 56764365) is 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea is O=C(NCC(O)C1CCCCC1)Nc1ccccc1F.
What is the InChIKey of 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea?
The InChIKey is NHIHQPKZFVMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-12-8-4-5-9-13(12)18-15(20)17-10-14(19)11-6-2-1-3-7-11/h4-5,8-9,11,14,19H,1-3,6-7,10H2,(H2,17,18,20).
What are the key properties of 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea?
1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea has a molecular weight of 280.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-hydroxyethyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 56764365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).